[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H19ClN2O3S2 MolecularWeight: 386.91666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2)Cl

InChI

InChI=1S/C16H19ClN2O3S2/c1-11-4-5-12(8-13(11)17)18-14(20)9-22-15(21)10-24-16(23)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,20)